tert-Butyl 4-((2-methylbenzyl)carbamoyl)piperidine-1-carboxylate
TL;DR: tert-Butyl 4-((2-methylbenzyl)carbamoyl)piperidine-1-carboxylate (CAS 1327125-54-1) is a chemical compound with molecular formula C19H28N2O3 and molecular weight 332.21 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
tert-butyl 4-[(2-methylphenyl)methylcarbamoyl]piperidine-1-carboxylate
Also Known As: tert-Butyl 4-((2-methylbenzyl)carbamoyl)piperidine-1-carboxylate, tert-butyl 4-[(2-methylphenyl)methylcarbamoyl]piperidine-1-carboxylate
Technical Specifications
| Molecular Formula | C19H28N2O3 |
| Molecular Weight | 332.21 g/mol |
| XLogP | 2.7 |
| Topological Polar Surface Area (TPSA) | 58.6 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 5 |
| Exact Mass | 332.21 Da |
| Heavy Atoms | 24 |
| Complexity | 436.0 |
| SMILES | CC1=CC=CC=C1CNC(=O)C2CCN(CC2)C(=O)OC(C)(C)C |
| InChIKey | XQIHMVKRPRHDNS-UHFFFAOYSA-N |
Chemical Property Profile of tert-Butyl 4-((2-methylbenzyl)carbamoyl)piperidine-1-carboxylate
Property Insights of tert-Butyl 4-((2-methylbenzyl)carbamoyl)piperidine-1-carboxylate
The XLogP value of 2.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for tert-Butyl 4-((2-methylbenzyl)carbamoyl)piperidine-1-carboxylate. With a topological polar surface area (TPSA) of 58.6 Ų, tert-Butyl 4-((2-methylbenzyl)carbamoyl)piperidine-1-carboxylate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, tert-Butyl 4-((2-methylbenzyl)carbamoyl)piperidine-1-carboxylate has 1 hydrogen bond donor(s) and 3 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of tert-Butyl 4-((2-methylbenzyl)carbamoyl)piperidine-1-carboxylate?
The CAS number of tert-Butyl 4-((2-methylbenzyl)carbamoyl)piperidine-1-carboxylate is 1327125-54-1.
What is the molecular formula of tert-Butyl 4-((2-methylbenzyl)carbamoyl)piperidine-1-carboxylate?
The molecular formula of tert-Butyl 4-((2-methylbenzyl)carbamoyl)piperidine-1-carboxylate is C19H28N2O3.
What is the molecular weight of tert-Butyl 4-((2-methylbenzyl)carbamoyl)piperidine-1-carboxylate?
The molecular weight of tert-Butyl 4-((2-methylbenzyl)carbamoyl)piperidine-1-carboxylate is 332.21 g/mol.
Where can I buy tert-Butyl 4-((2-methylbenzyl)carbamoyl)piperidine-1-carboxylate?
You can request a quote for tert-Butyl 4-((2-methylbenzyl)carbamoyl)piperidine-1-carboxylate directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for tert-Butyl 4-((2-methylbenzyl)carbamoyl)piperidine-1-carboxylate?
Yes, CoreyChem provides custom synthesis services for tert-Butyl 4-((2-methylbenzyl)carbamoyl)piperidine-1-carboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.